N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-methylsulfanylpropanamide

C12H21N3OS — CID 91768979

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C12H21N3OS/c1-12(2,3)10-7-9(14-15-10)8-13-11(16)5-6-17-4/h7H,5-6,8H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyUTWMSADMZNOHAE-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.08
Rot. Bonds5

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-methylsulfanylpropanamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-methylsulfanylpropanamide (PubChem CID 91768979) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-methylsulfanylpropanamide
PubChem CID91768979
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C12H21N3OS/c1-12(2,3)10-7-9(14-15-10)8-13-11(16)5-6-17-4/h7H,5-6,8H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyUTWMSADMZNOHAE-UHFFFAOYSA-N
XLogP2.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-methylsulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-methylsulfanylpropanamide (CID 91768979) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-methylsulfanylpropanamide is CSCCC(=O)NCc1cc(C(C)(C)C)n[nH]1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-methylsulfanylpropanamide?
The InChIKey is UTWMSADMZNOHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-12(2,3)10-7-9(14-15-10)8-13-11(16)5-6-17-4/h7H,5-6,8H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-methylsulfanylpropanamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-methylsulfanylpropanamide has a molecular weight of 255.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 91768979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).